N-[(2-cyclohex-3-en-1-yloxolan-3-yl)methyl]cyclopropanamine

C14H23NO — CID 79368081

IUPACN-[(2-cyclohex-3-en-1-yloxolan-3-yl)methyl]cyclopropanamine
SMILESC1=CCC(C2OCCC2CNC2CC2)CC1
InChIInChI=1S/C14H23NO/c1-2-4-11(5-3-1)14-12(8-9-16-14)10-15-13-6-7-13/h1-2,11-15H,3-10H2
InChIKeyBARBQTPGDDKQED-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.50
Rot. Bonds4

About N-[(2-cyclohex-3-en-1-yloxolan-3-yl)methyl]cyclopropanamine

N-[(2-cyclohex-3-en-1-yloxolan-3-yl)methyl]cyclopropanamine (PubChem CID 79368081) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-[(2-cyclohex-3-en-1-yloxolan-3-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2-cyclohex-3-en-1-yloxolan-3-yl)methyl]cyclopropanamine
PubChem CID79368081
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-[(2-cyclohex-3-en-1-yloxolan-3-yl)methyl]cyclopropanamine
SMILESC1=CCC(C2OCCC2CNC2CC2)CC1
InChIInChI=1S/C14H23NO/c1-2-4-11(5-3-1)14-12(8-9-16-14)10-15-13-6-7-13/h1-2,11-15H,3-10H2
InChIKeyBARBQTPGDDKQED-UHFFFAOYSA-N
XLogP2.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclohex-3-en-1-yloxolan-3-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(2-cyclohex-3-en-1-yloxolan-3-yl)methyl]cyclopropanamine (CID 79368081) is N-[(2-cyclohex-3-en-1-yloxolan-3-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(2-cyclohex-3-en-1-yloxolan-3-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(2-cyclohex-3-en-1-yloxolan-3-yl)methyl]cyclopropanamine is C1=CCC(C2OCCC2CNC2CC2)CC1.
What is the InChIKey of N-[(2-cyclohex-3-en-1-yloxolan-3-yl)methyl]cyclopropanamine?
The InChIKey is BARBQTPGDDKQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-2-4-11(5-3-1)14-12(8-9-16-14)10-15-13-6-7-13/h1-2,11-15H,3-10H2.
What are the key properties of N-[(2-cyclohex-3-en-1-yloxolan-3-yl)methyl]cyclopropanamine?
N-[(2-cyclohex-3-en-1-yloxolan-3-yl)methyl]cyclopropanamine has a molecular weight of 221.34 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclohex-3-en-1-yloxolan-3-yl)methyl]cyclopropanamine is sourced from PubChem (CID 79368081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).